(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide

C22H19N3O2 — CID 1365329

IUPAC(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N3O2/c1-15(27-18-7-3-2-4-8-18)22(26)23-17-13-11-16(12-14-17)21-24-19-9-5-6-10-20(19)25-21/h2-15H,1H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyKMRLDHDRGLGFKA-HNNXBMFYSA-N
MW357.41 g/mol
LogP4.64
Rot. Bonds5

About (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide

(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide (PubChem CID 1365329) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
PubChem CID1365329
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H19N3O2/c1-15(27-18-7-3-2-4-8-18)22(26)23-17-13-11-16(12-14-17)21-24-19-9-5-6-10-20(19)25-21/h2-15H,1H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyKMRLDHDRGLGFKA-HNNXBMFYSA-N
XLogP4.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3413795
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
2-phenoxy-N-[4-[2-[4-(2-phenoxypropanoylamino)phenyl]pyrimidin-5-yl]phenyl]propanamide
CID 3884095
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
CID 6032890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide (CID 1365329) is (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is KMRLDHDRGLGFKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15(27-18-7-3-2-4-8-18)22(26)23-17-13-11-16(12-14-17)21-24-19-9-5-6-10-20(19)25-21/h2-15H,1H3,(H,23,26)(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide?
(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 357.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 1365329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).